⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5598538 | 1.00 | — | — | |
| SCHEMBL6681701 | 0.86 | THRB (0.32) | — | |
| SCHEMBL22570751 | 0.84 | — | — | |
| SCHEMBL10654503 | 0.84 | — | — | |
| SCHEMBL2452406 | 0.84 | THRB (0.30) | — | |
| SCHEMBL24587061 | 0.84 | MEN1 (0.43) | — | |
| SCHEMBL24587092 | 0.84 | MEN1 (0.43) | — | |
| SCHEMBL17594435 | 0.83 | MEN1 (0.38) | — | |
| SCHEMBL8742318 | 0.81 | — | — | |
| SCHEMBL24611418 | 0.81 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3392258-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2020-07-15 | — | — | EP | disclosed |